CID 10504023

106168-50-7

Structural Information

Molecular Formula
C25H29N2
SMILES
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H29N2/c1-5-27(6-2)24-18-14-22(15-19-24)25(20-10-8-7-9-11-20)21-12-16-23(17-13-21)26(3)4/h7-19H,5-6H2,1-4H3/q+1
InChIKey
XNOHSESXBGVKLP-UHFFFAOYSA-N
Compound name
[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

357.23306 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.24034 194.5
[M+Na]+ 380.22228 196.8
[M-H]- 356.22578 205.5
[M+NH4]+ 375.26688 206.6
[M+K]+ 396.19622 186.6
[M+H-H2O]+ 340.23032 186.4
[M+HCOO]- 402.23126 216.7
[M+CH3COO]- 416.24691 220.8
[M+Na-2H]- 378.20773 196.5
[M]+ 357.23251 191.5
[M]- 357.23361 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe